SCHEMBL11223635

SCHEMBL11223635

C=C(C)COCCOC(=O)CCCCC(=O)OCCOCC(=C)C

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
DGKA P23743 1/20 0.52
PRSS1 P07477 1/20 0.41
PRSS2 P07478 1/20 0.41
PRSS3 P35030 1/20 0.41
THRB P10828 1/20 0.40
DNM1 Q05193 1/20 0.40
PAM P19021 2/20 0.39
TSHR P16473 3/20 0.37
ALDH1A1 P00352 2/20 0.36
ADRA2A P08913 1/20 0.36
ADRA1A P35348 1/20 0.36
EPHX2 P34913 2/20 0.36
MAPT P10636 2/20 0.35
BLM P54132 1/20 0.35
CYP1A2 P05177 1/20 0.34
CES2 O00748 1/20 0.33
POLB P06746 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL21318391 0.96 DGKA (0.47) DGKAPRSS1PRSS2PRSS3THRB
SCHEMBL1791414 0.92 ADRA2A (0.43) DGKAPRSS1PRSS2PRSS3THRB
SCHEMBL11232200 0.91 PRSS1 (0.47) DGKAPRSS1PRSS2PRSS3DNM1
SCHEMBL11225382 0.91 DGKA (0.46) DGKAPRSS1PRSS2PRSS3DNM1
SCHEMBL11219246 0.89 PRSS1 (0.50) DGKAPRSS1PRSS2PRSS3DNM1
SCHEMBL11226564 0.89 PRSS1 (0.50) DGKAPRSS1PRSS2PRSS3DNM1
SCHEMBL11230380 0.89 PRSS1 (0.50) DGKAPRSS1PRSS2PRSS3DNM1
SCHEMBL6523998 0.85 ADRA2A (0.38) DGKATHRBPAMTSHRALDH1A1
SCHEMBL20335287 0.82 THRB (0.46) DGKATHRBTSHRALDH1A1BLM
SCHEMBL17169822 0.81 PAM (0.50) DGKAPRSS1PRSS2PRSS3DNM1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4339527-A BIS/ACRYLOYLOXYALKYL/HYDROCARBYLDICARBOXYLATES E. I. DU PONT DE NEMOURS AND COMPANY (US) 1982-07-13 US claimed
US-4230790-A COMPRISING A PHOTOINITIATOR, A POLYMERIC BINDER, AND AN ACRYLIC ESTER OF A DICARBOXYLIC ACID AND A GLYCOL ACRYLATE E. I. DU PONT DE NEMOURS AND COMPANY (US) 1980-10-28 US claimed
US-4339527-A BIS/ACRYLOYLOXYALKYL/HYDROCARBYLDICARBOXYLATES E. I. DU PONT DE NEMOURS AND COMPANY (US) 1982-07-13 US disclosed
US-4230790-A COMPRISING A PHOTOINITIATOR, A POLYMERIC BINDER, AND AN ACRYLIC ESTER OF A DICARBOXYLIC ACID AND A GLYCOL ACRYLATE E. I. DU PONT DE NEMOURS AND COMPANY (US) 1980-10-28 US disclosed